(2S,4S,5S)-2-[(2S,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,4S,5S)-2-[(4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4R,6R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol

C86H156O60 — CID 159306383

IUPAC(2S,4S,5S)-2-[(2S,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,4S,5S)-2-[(4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4R,6R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
SMILESCC1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O[C@H]3OC(CO)[C@H](O)[C@H](O)C3C)C2O[C@@H]2OC(C)[C@@H](O)[C@H](O)C2O)[C@H](O)C1O.CC1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@H]3OC(CO)[C@H](O)[C@H](O)C3O)[C@H](O)C2O)[C@H](O)C1O.CC1OC(CO)[C@H](O)[C@H](O[C@H]2OC(CO)[C@H](O)[C@H](O)C2C)C1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O.CC1[C@@H](O)[C@@H](O)C(CO)O[C@@H]1C.C[C@@H]1OC(CO)[C@H](O[C@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@H](O)C1O
InChIInChI=1S/C26H46O18.C20H36O13.C19H34O15.C13H24O10.C8H16O4/c1-7-13(30)16(33)10(4-27)40-24(7)43-22-17(34)11(5-28)41-26(42-21-12(6-29)38-8(2)15(32)19(21)36)23(22)44-25-20(37)18(35)14(31)9(3)39-25;1-6-11(23)13(25)9(4-21)31-19(6)33-18-14(26)10(5-22)29-8(3)17(18)32-20-16(28)15(27)12(24)7(2)30-20;1-5-9(23)12(26)16(7(3-21)30-5)33-19-15(29)13(27)17(8(4-22)32-19)34-18-14(28)11(25)10(24)6(2-20)31-18;1-4-7(16)10(19)12(6(3-15)21-4)23-13-11(20)9(18)8(17)5(2-14)22-13;1-4-5(2)12-6(3-9)8(11)7(4)10/h7-37H,4-6H2,1-3H3;6-28H,4-5H2,1-3H3;5-29H,2-4H2,1H3;4-20H,2-3H2,1H3;4-11H,3H2,1-2H3/t7?,8?,9?,10?,11?,12?,13-,14-,15?,16+,17+,18+,19-,20?,21-,22+,23?,24-,25+,26+;6?,7?,8?,9?,10?,11-,12-,13+,14+,15+,16?,17?,18+,19-,20+;5?,6?,7?,8?,9?,10-,11-,12+,13+,14?,15?,16+,17-,18+,19-;4-,5?,6?,7?,8-,9-,10+,11?,12-,13+;4?,5-,6?,7-,8+/m11001/s1
InChIKeyLBYWGWAREWRWRH-JEURHMIISA-N
MW2150.13 g/mol
LogP-22.28
Rot. Bonds27

About (2S,4S,5S)-2-[(2S,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,4S,5S)-2-[(4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4R,6R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol

(2S,4S,5S)-2-[(2S,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,4S,5S)-2-[(4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4R,6R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol (PubChem CID 159306383) has the molecular formula C86H156O60 and a molecular weight of 2150.13 g/mol. Its IUPAC name is (2S,4S,5S)-2-[(2S,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,4S,5S)-2-[(4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4R,6R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol.

Molecular Properties

Compound Name(2S,4S,5S)-2-[(2S,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,4S,5S)-2-[(4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4R,6R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
PubChem CID159306383
Molecular FormulaC86H156O60
Molecular Weight2150.13 g/mol
Exact Mass2148.92
IUPAC Name(2S,4S,5S)-2-[(2S,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,4S,5S)-2-[(4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4R,6R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
SMILESCC1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O[C@H]3OC(CO)[C@H](O)[C@H](O)C3C)C2O[C@@H]2OC(C)[C@@H](O)[C@H](O)C2O)[C@H](O)C1O.CC1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@H]3OC(CO)[C@H](O)[C@H](O)C3O)[C@H](O)C2O)[C@H](O)C1O.CC1OC(CO)[C@H](O)[C@H](O[C@H]2OC(CO)[C@H](O)[C@H](O)C2C)C1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O.CC1[C@@H](O)[C@@H](O)C(CO)O[C@@H]1C.C[C@@H]1OC(CO)[C@H](O[C@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@H](O)C1O
InChIInChI=1S/C26H46O18.C20H36O13.C19H34O15.C13H24O10.C8H16O4/c1-7-13(30)16(33)10(4-27)40-24(7)43-22-17(34)11(5-28)41-26(42-21-12(6-29)38-8(2)15(32)19(21)36)23(22)44-25-20(37)18(35)14(31)9(3)39-25;1-6-11(23)13(25)9(4-21)31-19(6)33-18-14(26)10(5-22)29-8(3)17(18)32-20-16(28)15(27)12(24)7(2)30-20;1-5-9(23)12(26)16(7(3-21)30-5)33-19-15(29)13(27)17(8(4-22)32-19)34-18-14(28)11(25)10(24)6(2-20)31-18;1-4-7(16)10(19)12(6(3-15)21-4)23-13-11(20)9(18)8(17)5(2-14)22-13;1-4-5(2)12-6(3-9)8(11)7(4)10/h7-37H,4-6H2,1-3H3;6-28H,4-5H2,1-3H3;5-29H,2-4H2,1H3;4-20H,2-3H2,1H3;4-11H,3H2,1-2H3/t7?,8?,9?,10?,11?,12?,13-,14-,15?,16+,17+,18+,19-,20?,21-,22+,23?,24-,25+,26+;6?,7?,8?,9?,10?,11-,12-,13+,14+,15+,16?,17?,18+,19-,20+;5?,6?,7?,8?,9?,10-,11-,12+,13+,14?,15?,16+,17-,18+,19-;4-,5?,6?,7?,8-,9-,10+,11?,12-,13+;4?,5-,6?,7-,8+/m11001/s1
InChIKeyLBYWGWAREWRWRH-JEURHMIISA-N
XLogP-22.28
TPSA982.80 Ų
H-Bond Donors39
H-Bond Acceptors60
Rotatable Bonds27
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002150.13
LogP ≤ 5-22.28
H-Bond Donors ≤ 539
H-Bond Acceptors ≤ 1060

Analyze (2S,4S,5S)-2-[(2S,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,4S,5S)-2-[(4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4R,6R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-2-[(2S,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,4S,5S)-2-[(4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4R,6R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol?
The IUPAC name of (2S,4S,5S)-2-[(2S,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,4S,5S)-2-[(4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4R,6R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol (CID 159306383) is (2S,4S,5S)-2-[(2S,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,4S,5S)-2-[(4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4R,6R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol.
What is the SMILES notation for (2S,4S,5S)-2-[(2S,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,4S,5S)-2-[(4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4R,6R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol?
The canonical SMILES for (2S,4S,5S)-2-[(2S,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,4S,5S)-2-[(4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4R,6R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol is CC1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O[C@H]3OC(CO)[C@H](O)[C@H](O)C3C)C2O[C@@H]2OC(C)[C@@H](O)[C@H](O)C2O)[C@H](O)C1O.CC1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@H]3OC(CO)[C@H](O)[C@H](O)C3O)[C@H](O)C2O)[C@H](O)C1O.CC1OC(CO)[C@H](O)[C@H](O[C@H]2OC(CO)[C@H](O)[C@H](O)C2C)C1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O.CC1[C@@H](O)[C@@H](O)C(CO)O[C@@H]1C.C[C@@H]1OC(CO)[C@H](O[C@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@H](O)C1O.
What is the InChIKey of (2S,4S,5S)-2-[(2S,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,4S,5S)-2-[(4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4R,6R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol?
The InChIKey is LBYWGWAREWRWRH-JEURHMIISA-N. The full InChI is InChI=1S/C26H46O18.C20H36O13.C19H34O15.C13H24O10.C8H16O4/c1-7-13(30)16(33)10(4-27)40-24(7)43-22-17(34)11(5-28)41-26(42-21-12(6-29)38-8(2)15(32)19(21)36)23(22)44-25-20(37)18(35)14(31)9(3)39-25;1-6-11(23)13(25)9(4-21)31-19(6)33-18-14(26)10(5-22)29-8(3)17(18)32-20-16(28)15(27)12(24)7(2)30-20;1-5-9(23)12(26)16(7(3-21)30-5)33-19-15(29)13(27)17(8(4-22)32-19)34-18-14(28)11(25)10(24)6(2-20)31-18;1-4-7(16)10(19)12(6(3-15)21-4)23-13-11(20)9(18)8(17)5(2-14)22-13;1-4-5(2)12-6(3-9)8(11)7(4)10/h7-37H,4-6H2,1-3H3;6-28H,4-5H2,1-3H3;5-29H,2-4H2,1H3;4-20H,2-3H2,1H3;4-11H,3H2,1-2H3/t7?,8?,9?,10?,11?,12?,13-,14-,15?,16+,17+,18+,19-,20?,21-,22+,23?,24-,25+,26+;6?,7?,8?,9?,10?,11-,12-,13+,14+,15+,16?,17?,18+,19-,20+;5?,6?,7?,8?,9?,10-,11-,12+,13+,14?,15?,16+,17-,18+,19-;4-,5?,6?,7?,8-,9-,10+,11?,12-,13+;4?,5-,6?,7-,8+/m11001/s1.
What are the key properties of (2S,4S,5S)-2-[(2S,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,4S,5S)-2-[(4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4R,6R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol?
(2S,4S,5S)-2-[(2S,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,4S,5S)-2-[(4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4R,6R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol has a molecular weight of 2150.13 g/mol, XLogP of -22.28, 27 rotatable bonds, 39 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-2-[(2S,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,4S,5S)-2-[(4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(2R,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4R,6R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol is sourced from PubChem (CID 159306383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).